Dear Responsible,
I have set an Ab-antigen docking and when I execute haddock2.4 I get this error:
##############################################################################
Starting HADDOCK2.4
N-components version of HADDOCK (current maximum is 20)
Copyright 2003-2020 Alexandre Bonvin, Utrecht University.
Originally adapted from Aria 1.2 from Nilges and Linge, EMBL.
All rights reserved.
This code is part of the HADDOCK software and governed by its
license. Please see the LICENSE file that should have been included
as part of this package.
##############################################################################
Starting HADDOCK on: 2024-12-06 09:05:16
HADDOCK version: 2.4 - March 2024
Python version: 2.7.18 |Anaconda, Inc.| (default, Jun 4 2021, 14:47:46)
[GCC 7.3.0]
reading parameters from the file ./run.param
setting some variables:
N_COMP set to: 2
RUN_NUMBER set to: 1
HADDOCK_DIR set to: /gporq3/store_3/project/match/software/haddock2.4-2024-03
UNAMBIG_TBL set to: PROVA-TOTAL_unambig.tbl
PROT_SEGID_2 set to: B
PROT_SEGID_1 set to: A
PDB_FILE1 set to: ./PROVA-TOTAL_haddock.pdb
AMBIG_TBL set to: ./antibody-antigen-ambig.tbl
PROJECT_DIR set to: .
PDB_FILE2 set to: ./BLX.pdb
runDir= ./run1
project . exists, run 1 does not exist
create the new run 1
./PROVA-TOTAL_haddock.pdb copied to ./run1/data/sequence after removing the chain and segIDs
./BLX.pdb copied to ./run1/data/sequence after removing the chain and segIDs
editing run.cns: setting the default values
Traceback (most recent call last):
File “/gporq3/store_3/project/match/software/haddock2.4-2024-03//Haddock/RunHaddock.py”, line 155, in
new[‘CRYO-EM_FILE’],
File “/gporq3/store_3/project/match/software/haddock2.4-2024-03/Haddock/Main/Setup.py”, line 341, in SetupNewProject
runcnshandle = TextFile.TextFile(runcnsfile)
File “/gporq3/store_3/project/match/software/haddock2.4-2024-03/Haddock/ThirdParty/TextFile.py”, line 29, in init
raise IOError, (2, 'No such file or directory: ’ + filename)
IOError: [Errno 2] No such file or directory: /gporq3/store_3/project/match/software/haddock2.4-2024-03/protocols/run.cns
Exception AttributeError: “TextFile instance has no attribute ‘file’” in <bound method TextFile.del of <Haddock.ThirdParty.TextFile.TextFile instance at 0x2b14ad14a730>> ignored
I have checked in the run1/protocols folder and I find a run.cns-conf file. I though I might rename it to run.cns but following haddock2.4 run would complain about the pre-existance of run1 folder.
Thanks for your help,
Valerio